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

Systemtic Name: 7-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propylamino]-13-oxidanyl-naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 13-hydroxy-7-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 13-hydroxy-7-[3-[(3S)-3-methyl-1-piperidin-1-iumyl]propylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 13-hydroxy-7-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 13-hydroxy-7-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propylamino]naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C29H31N3O3+2 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=CC=CC=C6OC5=C2

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=CC=CC=C6OC5=C2

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/h2-5,9-12,16,18,30,34H,6-8,13-15,17H2,1H3/p+2/t18-/m0/s1