1-[2-phenyl-4-[(Z)-3-piperidin-1-ium-1-ylidene-1-piperidin-1-yl-prop-1-en-2-yl]thiochromen-2-yl]piperidine

Systemtic Name: 1-[2-phenyl-4-[(Z)-3-piperidin-1-ium-1-ylidene-1-piperidin-1-yl-prop-1-en-2-yl]thiochromen-2-yl]piperidine Openeye Name: 1-[2-phenyl-4-[(Z)-1-(piperidin-1-ium-1-ylidenemethyl)-2-(1-piperidyl)vinyl]thiochromen-2-yl]piperidine CAS Name: 1-[2-phenyl-4-[(Z)-3-(1-piperidin-1-iumylidene)-1-(1-piperidinyl)prop-1-en-2-yl]-1-benzothiopyran-2-yl]piperidine IUPAC Name: 1-[2-phenyl-4-[(Z)-3-piperidin-1-ium-1-ylidene-1-piperidin-1-ylprop-1-en-2-yl]thiochromen-2-yl]piperidine Traditional Name: 1-[2-phenyl-4-[(Z)-1-(piperidin-1-ium-1-ylidenemethyl)-2-piperidino-vinyl]thiochromen-2-yl]piperidine Formula: C33H42N3S+ MolecularWeight: 512.77168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C=C(C=[N+]2CCCCC2)C3=CC(SC4=CC=CC=C43)(C5=CC=CC=C5)N6CCCCC6

Isomeric SMILES

C1CCN(CC1)/C=C(\C=[N+]2CCCCC2)/C3=CC(SC4=CC=CC=C43)(C5=CC=CC=C5)N6CCCCC6

InChI

InChI=1S/C33H42N3S/c1-5-15-29(16-6-1)33(36-23-13-4-14-24-36)25-31(30-17-7-8-18-32(30)37-33)28(26-34-19-9-2-10-20-34)27-35-21-11-3-12-22-35/h1,5-8,15-18,25-27H,2-4,9-14,19-24H2/q+1