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

Systemtic Name: 7-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propylamino]-1-methyl-4aH-naphtho[3,2-a]phenoxazine-8,13-dione Openeye Name: 7-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propylamino]-1-methyl-4aH-naphtho[3,2-a]phenoxazine-8,13-dione CAS Name: 7-[3-[(2S)-2-ethyl-1-piperidin-1-iumyl]propylamino]-1-methyl-4aH-naphtho[3,2-a]phenoxazine-8,13-dione IUPAC Name: 7-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propylamino]-1-methyl-4aH-naphtho[3,2-a]phenoxazine-8,13-dione Traditional Name: 7-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propylamino]-1-methyl-4aH-naphtho[3,2-a]phenoxazine-8,13-quinone Formula: C31H34N3O3+ MolecularWeight: 496.61996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CCCNC2=CC3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)N=C6C(O3)C=CC=C6C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CCCNC2=CC3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)N=C6C(O3)C=CC=C6C

InChI

InChI=1S/C31H33N3O3/c1-3-20-11-6-7-16-34(20)17-9-15-32-23-18-25-29(33-28-19(2)10-8-14-24(28)37-25)27-26(23)30(35)21-12-4-5-13-22(21)31(27)36/h4-5,8,10,12-14,18,20,24,32H,3,6-7,9,11,15-17H2,1-2H3/p+1/t20-,24?/m0/s1