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

Systemtic Name: 7-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-dione Openeye Name: 7-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-dione CAS Name: 7-[3-[(3S)-3-methyl-1-piperidin-1-iumyl]propylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-dione IUPAC Name: 7-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-dione Traditional Name: 7-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-quinone Formula: C29H30N3O3+ MolecularWeight: 468.5668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCNC2=CC3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)N=C6C=CC=CC6O3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCCNC2=CC3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)N=C6C=CC=CC6O3

InChI

InChI=1S/C29H29N3O3/c1-18-8-6-14-32(17-18)15-7-13-30-22-16-24-27(31-21-11-4-5-12-23(21)35-24)26-25(22)28(33)19-9-2-3-10-20(19)29(26)34/h2-5,9-12,16,18,23,30H,6-8,13-15,17H2,1H3/p+1/t18-,23?/m0/s1