N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

Systemtic Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide Openeye Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]tetralin-6-carboxamide CAS Name: N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide IUPAC Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]tetralin-6-carboxamide Formula: C23H29N2O+ MolecularWeight: 349.48916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C23H28N2O/c26-23(22-12-11-20-5-1-2-6-21(20)15-22)24-16-18-7-9-19(10-8-18)17-25-13-3-4-14-25/h7-12,15H,1-6,13-14,16-17H2,(H,24,26)/p+1