1-methyl-7-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-13-oxidanyl-naphtho[3,2-a]phenoxazin-14-ium-8-one

Systemtic Name: 1-methyl-7-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-13-oxidanyl-naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 13-hydroxy-1-methyl-7-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 13-hydroxy-1-methyl-7-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 13-hydroxy-1-methyl-7-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 13-hydroxy-1-methyl-7-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C30H33N3O3+2 MolecularWeight: 483.60132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=C(C=CC=C6OC5=C2)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=C(C=CC=C6OC5=C2)C

InChI

InChI=1S/C30H31N3O3/c1-18-9-7-13-23-27(18)32-28-24(36-23)17-22(31-14-8-16-33-15-6-5-10-19(33)2)25-26(28)30(35)21-12-4-3-11-20(21)29(25)34/h3-4,7,9,11-13,17,19,31,35H,5-6,8,10,14-16H2,1-2H3/p+2/t19-/m0/s1