2-azanyl-4-(5-butylthiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-butylthiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(5-butyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(5-butyl-2-thiophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(5-butylthiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(5-butyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Formula: C20H26N3S+ MolecularWeight: 340.50554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(S1)C2=C(C(=[NH+]C3=C2CCCCCC3)N)C#N

Isomeric SMILES

CCCCC1=CC=C(S1)C2=C(C(=[NH+]C3=C2CCCCCC3)N)C#N

InChI

InChI=1S/C20H25N3S/c1-2-3-8-14-11-12-18(24-14)19-15-9-6-4-5-7-10-17(15)23-20(22)16(19)13-21/h11-12H,2-10H2,1H3,(H2,22,23)/p+1