3-tert-butyl-7-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-dione

Systemtic Name: 3-tert-butyl-7-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-dione Openeye Name: 3-tert-butyl-7-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-dione CAS Name: 3-tert-butyl-7-[2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-dione IUPAC Name: 3-tert-butyl-7-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-dione Traditional Name: 3-tert-butyl-7-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-quinone Formula: C32H36N3O3+ MolecularWeight: 510.64654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCNC2=CC3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)N=C6C=CC(=CC6O3)C(C)(C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCNC2=CC3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)N=C6C=CC(=CC6O3)C(C)(C)C

InChI

InChI=1S/C32H35N3O3/c1-19-8-7-14-35(18-19)15-13-33-24-17-26-29(34-23-12-11-20(32(2,3)4)16-25(23)38-26)28-27(24)30(36)21-9-5-6-10-22(21)31(28)37/h5-6,9-12,16-17,19,25,33H,7-8,13-15,18H2,1-4H3/p+1/t19-,25?/m0/s1