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

Systemtic Name: 1-methyl-7-[3-[(3R)-3-methylpiperidin-1-ium-1-yl]propylamino]-13aH-naphtho[2,3-a]phenoxazine-8,13-dione Openeye Name: 1-methyl-7-[3-[(3R)-3-methylpiperidin-1-ium-1-yl]propylamino]-13aH-naphtho[2,3-a]phenoxazine-8,13-dione CAS Name: 1-methyl-7-[3-[(3R)-3-methyl-1-piperidin-1-iumyl]propylamino]-13aH-naphtho[2,3-a]phenoxazine-8,13-dione IUPAC Name: 1-methyl-7-[3-[(3R)-3-methylpiperidin-1-ium-1-yl]propylamino]-13aH-naphtho[2,3-a]phenoxazine-8,13-dione Traditional Name: 1-methyl-7-[3-[(3R)-3-methylpiperidin-1-ium-1-yl]propylamino]-13aH-naphtho[2,3-a]phenoxazine-8,13-quinone Formula: C30H32N3O3+ MolecularWeight: 482.59338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCNC2=C3C(C4=NC5=C(C=CC=C5OC4=C2)C)C(=O)C6=CC=CC=C6C3=O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CCCNC2=C3C(C4=NC5=C(C=CC=C5OC4=C2)C)C(=O)C6=CC=CC=C6C3=O

InChI

InChI=1S/C30H31N3O3/c1-18-8-6-14-33(17-18)15-7-13-31-22-16-24-28(32-27-19(2)9-5-12-23(27)36-24)26-25(22)29(34)20-10-3-4-11-21(20)30(26)35/h3-5,9-12,16,18,26,31H,6-8,13-15,17H2,1-2H3/p+1/t18-,26?/m1/s1